N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide

C16H19N3O — CID 91942826

IUPACN-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
SMILESCCC(C)C(C)=NNC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H19N3O/c1-4-11(2)12(3)18-19-16(20)14-9-5-7-13-8-6-10-17-15(13)14/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyOPCYMZLGPVFLGL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.39
Rot. Bonds4

About N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide

N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide (PubChem CID 91942826) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide.

Molecular Properties

Compound NameN-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
PubChem CID91942826
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC NameN-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide
SMILESCCC(C)C(C)=NNC(=O)c1cccc2cccnc12
InChIInChI=1S/C16H19N3O/c1-4-11(2)12(3)18-19-16(20)14-9-5-7-13-8-6-10-17-15(13)14/h5-11H,4H2,1-3H3,(H,19,20)
InChIKeyOPCYMZLGPVFLGL-UHFFFAOYSA-N
XLogP3.39
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9016507
N-(4-bromobutan-2-yl)quinoline-8-carboxamide
CID 83178653
N-[2-(methylamino)propyl]quinoline-8-carboxamide;dihydrochloride
CID 120829987
N-(1-phenylethyl)quinoline-8-carboxamide
CID 51180563
N-[4-[[(E)-N-(2,2-dimethylpentan-3-yloxy)-C-methylcarbonimidoyl]carbamoylamino]phenyl]quinoline-8-carboxamide
CID 143052930
N-(2-hydroxy-2-methylpropyl)quinoline-8-carboxamide
CID 65109650
N-pyrimidin-2-ylquinoline-8-carboxamide
CID 175780986
2-ethoxy-1-quinolin-8-ylpropan-1-one
CID 81220113
N-(3-acetamidophenyl)quinoline-8-carboxamide
CID 9206616
N-(2-amino-2-ethylbutyl)quinoline-8-carboxamide;dihydrochloride
CID 119641919
5-chloro-2-hydroxy-N-[(Z)-[(3S)-3-methylpentan-2-ylidene]amino]benzamide
CID 9297750
N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]quinoline-8-carboxamide
CID 136581170

Frequently Asked Questions

What is the IUPAC name of N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide?
The IUPAC name of N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide (CID 91942826) is N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide.
What is the SMILES notation for N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide?
The canonical SMILES for N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide is CCC(C)C(C)=NNC(=O)c1cccc2cccnc12.
What is the InChIKey of N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide?
The InChIKey is OPCYMZLGPVFLGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-4-11(2)12(3)18-19-16(20)14-9-5-7-13-8-6-10-17-15(13)14/h5-11H,4H2,1-3H3,(H,19,20).
What are the key properties of N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide?
N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylpentan-2-ylideneamino)quinoline-8-carboxamide is sourced from PubChem (CID 91942826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).